6-chloranyl-7-methyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-4-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C(C)C)Cl

InChI

InChI=1S/C16H16ClN3O2S/c1-9(2)20-8-18-19-16(20)23-7-11-5-15(21)22-14-4-10(3)13(17)6-12(11)14/h4-6,8-9H,7H2,1-3H3